ATOM 42
1 C8y C 26.4403 -22.6515
2 C8y C 26.4403 -24.0261
3 C5x C 27.6088 -24.7135
4 C1z C 28.8460 -24.0261
5 C1z C 28.8460 -22.6515
6 O2x O 27.6088 -21.9641
7 C8x C 25.2719 -21.9641
8 C8y C 24.0347 -22.6515
9 C8y C 24.0347 -24.0261
10 C8y C 25.2719 -24.7135
11 O1a O 25.2719 -26.0881
12 O5x O 27.6088 -26.0881
13 O2x O 30.1519 -24.5073
14 C8y C 30.9767 -23.3388
15 C8y C 30.1519 -22.2391
16 C8x C 32.3514 -23.2013
17 C8y C 32.9012 -21.9641
18 C8x C 32.0764 -20.8644
19 C8x C 30.7018 -21.0019
20 O1a O 34.2759 -21.9641
21 O1a O 28.8460 -21.2768
22 C1b C 28.8460 -25.4008
23 O1a O 22.8662 -21.9641
24 C2y C 22.8662 -24.7135
25 C1y C 20.5293 -23.7512
26 C1x C 21.9040 -23.7512
27 C2x C 22.8662 -26.0881
28 C1z C 21.9040 -27.0504
29 O2x O 20.5293 -27.0504
30 C8y C 19.5670 -26.0881
31 C8y C 19.5670 -24.7135
32 C8x C 18.3766 -24.0261
33 C8x C 17.1860 -24.7135
34 C8y C 17.1860 -26.0881
35 C8x C 18.3766 -26.7754
36 O1a O 15.9772 -26.7862
37 C1x C 20.5293 -25.8819
38 C1a C 22.8759 -28.0224
39 C2b C 30.0364 -26.0881
40 C2c C 30.0364 -27.4881
41 C1a C 28.8097 -28.1962
42 C1a C 31.2534 -28.1907
BOND 48
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 2 10 2
12 10 11 1
13 3 12 2
14 4 13 1
15 13 14 1
16 14 15 1
17 5 15 1
18 14 16 2
19 16 17 1
20 17 18 2
21 18 19 1
22 15 19 2
23 17 20 1
24 5 21 1
25 4 22 1
26 8 23 1
27 9 24 1
28 25 26 1
29 26 24 1
30 24 27 2
31 27 28 1
32 28 29 1
33 29 30 1
34 30 31 2
35 31 25 1
36 31 32 1
37 32 33 2
38 33 34 1
39 34 35 2
40 30 35 1
41 34 36 1
42 25 37 1
43 37 28 1
44 28 38 1
45 22 39 1
46 39 40 2
47 40 41 1
48 40 42 1
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